SCHEMBL2832833

SCHEMBL2832833

C#CCCCOC(=O)c1c(F)cc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.37
ESR1 P03372 3/20 0.36
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
ALOX5 P09917 3/20 0.33
NPC1 O15118 1/20 0.33
MAOB P27338 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
TDP2 O95551 1/20 0.33
MAOA P21397 1/20 0.33
POLB P06746 1/20 0.33
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2833709 0.95 ALOX5 (0.38) SERPINE1ESR1KMT2AGAAALOX5
SCHEMBL2832600 0.90 KMT2A (0.40) SERPINE1ESR1KMT2AGAAALOX5
SCHEMBL2835336 0.86 ESR1 (0.42) SERPINE1ESR1ALOX5NPC1MAOB
SCHEMBL2835383 0.84 KMT2A (0.48) ESR1KMT2ANPC1TDP2POLB
SCHEMBL2835213 0.82 ESR1 (0.41) SERPINE1ESR1ALOX5NPC1MAOB
SCHEMBL2838398 0.82 POLB (0.49) KMT2AGAANPC1ABCG2POLB
SCHEMBL2833607 0.82 NPC1 (0.50) KMT2AGAANPC1MAOBMAOA
SCHEMBL2834274 0.80 ESR1 (0.51) ESR1KMT2AALOX5NPC1MAOB
SCHEMBL2835351 0.80 KMT2A (0.47) KMT2AALOX5NPC1POLB
SCHEMBL31590766 0.79 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101595082-B Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES 2013-08-21 CN disclosed
US-8263268-B2 Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES, LTD. (JP) 2012-09-11 US disclosed
EP-2108640-B1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES (JP) 2012-07-25 EP disclosed
US-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-05-13 US disclosed
CN-101595082-A Ester cpds, the nonaqueous electrolytic solution that uses this ester cpds and lithium secondary battery UBE INDUSTRIES (JP) 2009-12-02 CN disclosed
EP-2108640-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND Ube Industries, Ltd. (JP) 2009-10-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND CEL, LAGE3, PEF1 SERPINE1 4479/4885ESR1 119/4885KMT2A 1023/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.